Mrv1652309122214002D 16 17 0 0 1 0 999 V2000 -0.5837 0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 -0.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7812 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 6 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 4 15 1 0 0 0 0 15 16 1 6 0 0 0 M END > NP0328495 > NP-MRD > C[C@H](O)C1=CC=C2O[C@@H]([C@@H](O)C2=C1)C(C)=C > InChI=1S/C13H16O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,8,12-15H,1H2,2-3H3/t8-,12-,13+/m0/s1 > DGYNFTPATSGSKV-AQUOVQTQSA-N > C13H16O3 > 220.268 > 220.109944375 > 3 > 32 > 24.058091700367886 > 1 > 2 > 0 > 1 > (2R,3S)-5-[(1S)-1-hydroxyethyl]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-ol > 1.6200703319999998 > 0 > 2 > 0 > 14.805417023701303 > 13.116758425133476 > -2.8983982992711024 > 49.69 > 61.3879 > 2 > 1 > (2R,3S)-5-[(1S)-1-hydroxyethyl]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-ol > 0 > NP0328495 > (2r,3s)-5-[(1s)-1-hydroxyethyl]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-ol $$$$